Geometry & MOs

Info

ID:

387073

PubChem CID:

134983856

Reduced:

SF3N3O3C8H11 (1)

Stoich.:

AB3C3D3E8F11 (1)

Weight, g/mol:

426.128966

ΔHf, kcal/mol:

-206.81

Dipole, Da:

2.83

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.906367

Charge, e:

 0

Chem-info

IUPAC name:

1,2,2-triphenylethenyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1CCN(CC1)/C(=C\[N+]#N)/OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations